4-[2,3-bis(fluoranyl)-4-(4-pentoxybutoxy)phenyl]benzoic acid

Systemtic Name: 4-[2,3-bis(fluoranyl)-4-(4-pentoxybutoxy)phenyl]benzoic acid Openeye Name: 4-[2,3-difluoro-4-(4-pentoxybutoxy)phenyl]benzoic acid CAS Name: 4-[2,3-difluoro-4-(4-pentoxybutoxy)phenyl]benzoic acid IUPAC Name: 4-[2,3-difluoro-4-(4-pentoxybutoxy)phenyl]benzoic acid Traditional Name: 4-[4-(4-amoxybutoxy)-2,3-difluoro-phenyl]benzoic acid Formula: C22H26F2O4 MolecularWeight: 392.436246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

Isomeric SMILES

CCCCCOCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

InChI

InChI=1S/C22H26F2O4/c1-2-3-4-13-27-14-5-6-15-28-19-12-11-18(20(23)21(19)24)16-7-9-17(10-8-16)22(25)26/h7-12H,2-6,13-15H2,1H3,(H,25,26)